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ORCIDSimon Cross 0001
Person information
- affiliation: Molecular Discovery, London, UK
Other persons with the same name
- Simon Cross — disambiguation page
- Simon Cross 0002
![[0000-0001-8741-8503]](https://dblp.org/img/orcid-mark.12x12.png "0000-0001-8741-8503")
— Open University, Milton Keynes, UK
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2020 – today
- 2023
[j8]Loriano Storchi, Gabriele Cruciani, Simon Cross:
DeepGRID: Deep Learning Using GRID Descriptors for BBB Prediction. J. Chem. Inf. Model. 63(17): 5496-5512 (2023)- 2022
- [j7]Simon Cross, Gabriele Cruciani:
FragExplorer: GRID-Based Fragment Growing and Replacement. J. Chem. Inf. Model. 62(5): 1224-1235 (2022) - 2021
- [j6]Sara Tortorella, Emanuele Carosati, Giulia Sorbi, Giovanni Bocci, Simon Cross, Gabriele Cruciani, Loriano Storchi:
Combining machine learning and quantum mechanics yields more chemically aware molecular descriptors for medicinal chemistry applications. J. Comput. Chem. 42(29): 2068-2078 (2021) - [j5]Sara Tortorella, Emanuele Carosati, Giulia Sorbi, Giovanni Bocci, Simon Cross, Gabriele Cruciani, Loriano Storchi:
Cover Image. J. Comput. Chem. 42(29): i (2021)
2010 – 2019
- 2012
- [j4]Simon Cross, Massimo Baroni, Laura Goracci, Gabriele Cruciani:
GRID-Based Three-Dimensional Pharmacophores I: FLAPpharm, a Novel Approach for Pharmacophore Elucidation. J. Chem. Inf. Model. 52(10): 2587-2598 (2012) - [j3]Simon Cross, Francesco Ortuso, Massimo Baroni, Giosuè Costa, Simona Distinto, Federica Moraca, Stefano Alcaro, Gabriele Cruciani:
GRID-Based Three-Dimensional Pharmacophores II: PharmBench, a Benchmark Data Set for Evaluating Pharmacophore Elucidation Methods. J. Chem. Inf. Model. 52(10): 2599-2608 (2012) - 2010
- [j2]Simon Cross, Massimo Baroni, Emanuele Carosati, Paolo Benedetti, Sérgio Clementi:
FLAP: GRID Molecular Interaction Fields in Virtual Screening. Validation using the DUD Data Set. J. Chem. Inf. Model. 50(8): 1442-1450 (2010)
2000 – 2009
- 2009
- [j1]Francesca Milletti, Loriano Storchi, Gianluca Sforna, Simon Cross, Gabriele Cruciani:
Tautomer Enumeration and Stability Prediction for Virtual Screening on Large Chemical Databases. J. Chem. Inf. Model. 49(1): 68-75 (2009)
Coauthor Index
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